methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate

C23H24ClN3O5 — CID 18631258

IUPACmethyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H24ClN3O5/c1-14(2)10-20(23(29)30-3)26-21(28)13-31-16-5-7-17(8-6-16)32-22-12-25-19-11-15(24)4-9-18(19)27-22/h4-9,11-12,14,20H,10,13H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyUYDPDQGQRUKYDR-FQEVSTJZSA-N
MW457.91 g/mol
LogP4.16
Rot. Bonds9

About methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate

methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate (PubChem CID 18631258) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
PubChem CID18631258
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Namemethyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H24ClN3O5/c1-14(2)10-20(23(29)30-3)26-21(28)13-31-16-5-7-17(8-6-16)32-22-12-25-19-11-15(24)4-9-18(19)27-22/h4-9,11-12,14,20H,10,13H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyUYDPDQGQRUKYDR-FQEVSTJZSA-N
XLogP4.16
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
(2R)-2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(Z)-(4-methoxy-2-methylphenyl)methylideneamino]-4-methylpentanamide
CID 126019663
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8806342
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9229346
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 55397258

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate (CID 18631258) is methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate?
The InChIKey is UYDPDQGQRUKYDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-14(2)10-20(23(29)30-3)26-21(28)13-31-16-5-7-17(8-6-16)32-22-12-25-19-11-15(24)4-9-18(19)27-22/h4-9,11-12,14,20H,10,13H2,1-3H3,(H,26,28)/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate has a molecular weight of 457.91 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 18631258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).